CHARMM Registration

CHARMM is a versatile molecular modeling and simulation program
designed to provide broad application to the simulation of many-particle systems, and
includes a comprehensive set of force fields to simulate biomolecules,
such as proteins, nucleic acids, carbohydrates, lipids, their assemblies, and the
small molecules that interact with these targets.
CHARMM runs on a variety of UNIX-compatible
platforms, with optional graphical output. For more information on the
CHARMM program, its capabilities and documentation, visit www.charmm.org.

We distribute the CHARMM
program for academic, government and nonprofit use only. (For-profit companies may contact
BIOVIA, which distributes the commercial version,
called CHARMm.)
A reduced version of
CHARMM
without high-performance parallel MD functionality is available to
academic, government and nonprofit labs free of charge as
charmm.

For a $600 licensing fee, individual research groups can obtain the
enhanced version of CHARMM, designed to run on high-performance
parallel computer platforms with integrated GPUs, as well as on smaller GPU-based workstations
(using OpenMM GPU acceleration).
The enhanced version is also available to
computing centers under a site license for $2500,
provided that only the program executable
will be provided to its users,
and that access to the executable will be limited to academic or nonprofit users only;
users need not have individual CHARMM licenses.

CHARMM includes all of the algorithms and methodologies
of charmm, with a subset of these approaches optimized for HPC/GPU
computing. CHARMM and charmm use
the same CHARMM scripting language, with minimal changes required to
activate CHARMM HPC features.
The high-performance CHARMM version requires FFTW (or
Intel mkl) libraries, a recent version of MPI libraries, and one of the
following supported compilers: GCC 4.8.3, Intel 14, PGI 2013 (or newer
versions).

Both charmm and CHARMM can utilize OpenMM
GPU acceleration for MD simulations, which require NVIDIA’s CUDA 6.5 or
newer libraries, NVIDIA GPU drivers, and OpenMM version 6.2 or
greater.

To register for the high-performance individual
or computing center
version of CHARMM (v.
43),
click here.